Methyl (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
[CAS# 876156-53-5]

Identification

• Name: Methyl (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
• Synonyms: (2R,3S)-2-Phényl-3-(trifluorométhyl)-1,4-oxathiane-3-carboxylate de méthyle; 1,4-Oxathiane-3-carboxylic acid, 2-phenyl-3-(trifluoromethyl)-, methyl ester, (2R,3S)-; Methyl (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
• Molecular Formula: C₁₃H₁₃F₃O₃S
• Molecular Weight: 306.30
• CAS Registry Number: 876156-53-5
• SMILES: COC(=O)[C@@]1([C@H](OCCS1)c2ccccc2)C(F)(F)F
• InChI: 1S/C13H13F3O3S/c1-18-11(17)12(13(14,15)16)10(19-7-8-20-12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,12+/m1/s1
• InChIKey: AJBCBTSRYVBCJQ-PWSUYJOCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 364.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 174.3±27.9°C (Cal.)
• Refractive index: 1.505 (Cal.)